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Journal of Molecular Graphics & Modelling|June 8, 2021
Structural insight into locked nucleic acid based novel antisense modifications: A DFT calculations at monomer and MD simulations at oligomer levelMallikarjunachari V N Uppuladinne, Dikshita Dowerah, Uddhavesh B Sonavane, et al.Journal of Molecular Graphics & Modelling|October 29, 2021
Molecular size and molecular structure: Discriminating their changes upon chemical reactions in terms of information entropyDenis Sabirov, Alina A Tukhbatullina, Igor S ShepelevichJournal of Molecular Graphics & Modelling|October 29, 2021
Charge controlled capture/release of CH4 on Nb2CTx MXene: A first-principles calculationXiaojing Lv, Shujie Zhang, Junkai Wang, et al.Journal of Molecular Graphics & Modelling|May 2, 2022
A mutation increases the specificity to plant compounds in an insect chemosensory proteinAngélica González-González, Osvaldo Yañez, Gabriel I Ballesteros, et al.Journal of Molecular Graphics & Modelling|July 9, 2022
In silico analysis of SARS-CoV-2 spike protein N501Y and N501T mutation effects on human ACE2 bindingHasan Çubuk, Mehmet Özbi LJournal of Molecular Graphics & Modelling|July 10, 2022
Theoretical study on the cross-linking reaction mechanism of cellulose nanofibrils initiated by fluorineHui Zhang, Xia Du, Chi Deng, et al.Journal of Molecular Graphics & Modelling|July 10, 2022
Molecular insight into the systematic affinity and selectivity of partner recognition sites between the WW1 and WW2 domains of human KIBRA neuroproteinKai Wang, Baoqiang Li, Lei Ge, et al.Journal of Molecular Graphics & Modelling|July 15, 2022
In-silico functional and structural annotation of hypothetical protein from Klebsiella pneumonia: A potential drug targetVishakha Singh, Poonam Dhankhar, Vikram Dalal, et al.Journal of Molecular Graphics & Modelling|July 22, 2022
Elucidating the binding mechanism of LPA species and analogs in an LPA4 receptor homology modelHuiqun Wang, Mengchu Li, Celsey M St Onge, et al.Journal of Molecular Graphics & Modelling|January 25, 2016
Polyelectrolyte conformational transition in aqueous solvent mixture influenced by hydrophobic interactions and hydrogen bonding effects: PAA-water-ethanolPraveenkumar Sappidi, Upendra NatarajanPageof 408